KEGG   COMPOUND: C09812Help
Entry
C09812                      Compound                               

Name
2-Hydroxycyclohexane-1-carboxyl-CoA
Formula
C28H46N7O18P3S
Exact mass
893.1833
Mol weight
893.6872
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Benzoate degradation
Microbial metabolism in diverse environments
Degradation of aromatic compounds
Module
M00540  
Benzoate degradation, cyclohexanecarboxylic acid =>pimeloyl-CoA
Enzyme
1.1.1.-         4.2.1.-
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        57
            1   S2a S    13.5800  -21.9100
            2   C1b C    14.7700  -21.2100
            3   C1b C    16.0300  -21.9100
            4   N1b N    17.2200  -21.2100
            5   C5a C    18.4100  -21.9100
            6   C1b C    19.6700  -21.2100
            7   C1b C    20.8600  -21.9100
            8   N1b N    22.0500  -21.2100
            9   C5a C    23.3100  -21.9100
            10  C1c C    24.5000  -21.2100
            11  C1d C    25.6900  -21.9100
            12  C1b C    26.8800  -21.2100
            13  O2b O    28.1400  -21.9100
            14  O5a O    18.4100  -23.3100
            15  O5a O    23.3100  -23.3100
            16  O1a O    24.5000  -19.8100
            17  C1a C    25.6900  -20.5100
            18  C1a C    25.6900  -23.3100
            19  P1b P    29.5400  -21.9100
            20  O1c O    30.9400  -21.9100
            21  O1c O    29.5400  -23.3100
            22  C1y C    23.0300  -16.9400
            23  C1y C    24.4300  -16.9400
            24  C1y C    24.8500  -15.6100
            25  O2x O    23.7300  -14.7700
            26  C1y C    22.6100  -15.6100
            27  C1b C    26.1800  -15.1900
            28  O1a O    22.1900  -18.0600
            29  O2b O    25.2700  -18.0600
            30  P1b P    26.6700  -18.0600
            31  O1c O    26.6700  -16.6600
            32  O1c O    28.0700  -18.0600
            33  O1c O    26.6700  -19.4600
            34  C8y C    18.4800  -13.7900
            35  C8y C    18.4800  -15.1900
            36  N4y N    20.9300  -15.1900
            37  C8x C    20.9300  -13.7900
            38  N5x N    19.6700  -13.0900
            39  C8y C    17.2900  -13.0900
            40  N5x N    16.0300  -13.7900
            41  C8x C    16.0300  -15.1900
            42  N5x N    17.2900  -15.8900
            43  N1a N    17.2900  -11.6900
            44  O2b O    28.1400  -15.6100
            45  P1b P    29.5400  -15.6100
            46  O1c O    29.5400  -14.2100
            47  O1c O    30.9400  -15.6100
            48  O2c O    29.5400  -18.8300
            49  C5a C    12.4600  -21.2800
            50  C1y C    11.3400  -21.9100
            51  O5a O    12.4600  -19.9500
            52  C1y C    10.2200  -21.2800
            53  C1x C    11.3400  -23.1700
            54  C1x C     9.0300  -21.9100
            55  O1a O    10.2200  -19.9500
            56  C1x C    10.2200  -23.8700
            57  C1x C     9.1000  -23.1700
BOND        60
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13    5  14 2
            14    9  15 2
            15   10  16 1 #Down
            16   11  17 1
            17   11  18 1
            18   13  19 1
            19   19  20 2
            20   19  21 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   22  26 1
            26   24  27 1 #Down
            27   22  28 1 #Up
            28   23  29 1 #Up
            29   29  30 1
            30   30  31 1
            31   30  32 1
            32   30  33 2
            33   34  35 2
            34   35  36 1
            35   36  37 1
            36   37  38 2
            37   34  38 1
            38   34  39 1
            39   39  40 2
            40   40  41 1
            41   41  42 2
            42   35  42 1
            43   39  43 1
            44   26  36 1 #Down
            45   27  44 1
            46   44  45 1
            47   45  46 1
            48   45  47 2
            49   45  48 1
            50   19  48 1
            51    1  49 1
            52   49  50 1
            53   49  51 2
            54   50  52 1
            55   50  53 1
            56   52  54 1
            57   52  55 1
            58   53  56 1
            59   54  57 1
            60   56  57 1

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